Parametrization strategy for the MolFESD concept: Quantitative surface representation of local hydrophobicity

Journal of Chemical Information and Computer Sciences

Volumn 43, Issue 1, 2003, Pages 237-247

  Jäger, Robert ^a,b   Kast, Stefan M ^a   Brickmann, Jürgen ^a  

^a DARMSTADT UNIVERSITY OF TECHNOLOGY   (Germany)

^b SANOFI AVENTIS DEUTSCHLAND GMBH   (Germany)

Author keywords

[No Author keywords available]

Indexed keywords

COMPUTER SIMULATION; FREE ENERGY; HYDRATION; MATHEMATICAL MODELS; MOLECULES; REGRESSION ANALYSIS; STATISTICAL METHODS; SUGAR (SUCROSE); SURFACE PROPERTIES; THERMODYNAMICS; THREE DIMENSIONAL;

MOLECULAR FREE ENERGY SURFACE DENSITY; PARAMETRIZATION; SOFTWARE PACKAGE GRID; SOLVATION THERMODYNAMICS; STATISTICAL THREE DIMENSIONAL FREE ENERGY DENSITY;

HYDROPHOBICITY;

EID: 0037269846     PISSN: 00952338     EISSN: None     Source Type: Journal    
DOI: 10.1021/ci025576h     Document Type: Article

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